SCHEMBL4671941

SCHEMBL4671941

CC(=O)c1ccc(Cn2ccc(C(=O)C=C(O)c3nn[nH]n3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
XDH P47989 1/20 0.38
P2RY14 Q15391 2/20 0.35
HDAC1 Q13547 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
AGTR1 P30556 2/20 0.32
CACNA1G O43497 2/20 0.31
CACNA1H O95180 2/20 0.31
CACNA1I Q9P0X4 2/20 0.31
CES1 P23141 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4672837 0.90 CACNA1G (0.40) LMNAALDH1A1MEN1KMT2AHDAC1
SCHEMBL4674607 0.88 HDAC1 (0.42) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL4675309 0.88 NPC1 (0.39) LMNAALDH1A1MAPTHDAC1NPC1
SCHEMBL4673527 0.88 HDAC1 (0.34) LMNAMAPTMEN1KMT2AHDAC1
SCHEMBL4678301 0.87 CACNA1G (0.43) ALDH1A1MEN1KMT2AHDAC1NPC1
SCHEMBL4674961 0.86 LMNA (0.34) LMNAMAPTMEN1KMT2AHDAC1
SCHEMBL4676221 0.84 MEN1 (0.38) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL4674633 0.82 HSD17B10 (0.40) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL4679602 0.80 XDH (0.38) LMNAKMT2AXDHP2RY14ERCC5
SCHEMBL4677812 0.80 L3MBTL1 (0.44) ALDH1A1MAPTP2RY14HDAC1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP disclosed